4-bromo-5-propylthiophene-2-carboxylic acid

C8H9BrO2S — CID 3843134

IUPAC4-bromo-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1Br
InChIInChI=1S/C8H9BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyWMBFFUJISNVJLE-UHFFFAOYSA-N
MW249.13 g/mol
LogP3.16
Rot. Bonds3

About 4-bromo-5-propylthiophene-2-carboxylic acid

4-bromo-5-propylthiophene-2-carboxylic acid (PubChem CID 3843134) has the molecular formula C8H9BrO2S and a molecular weight of 249.13 g/mol. Its IUPAC name is 4-bromo-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-propylthiophene-2-carboxylic acid
PubChem CID3843134
Molecular FormulaC8H9BrO2S
Molecular Weight249.13 g/mol
Exact Mass247.95
IUPAC Name4-bromo-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1Br
InChIInChI=1S/C8H9BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyWMBFFUJISNVJLE-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 4-bromo-5-propylthiophene-2-carboxylic acid (CID 3843134) is 4-bromo-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-bromo-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 4-bromo-5-propylthiophene-2-carboxylic acid is CCCc1sc(C(=O)O)cc1Br.
What is the InChIKey of 4-bromo-5-propylthiophene-2-carboxylic acid?
The InChIKey is WMBFFUJISNVJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-bromo-5-propylthiophene-2-carboxylic acid?
4-bromo-5-propylthiophene-2-carboxylic acid has a molecular weight of 249.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 3843134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).